3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride

C18H23ClN2O — CID 119756892

IUPAC3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride
SMILESCc1ccccc1C(C)(C)CNC(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-13-7-4-5-10-16(13)18(2,3)12-20-17(21)14-8-6-9-15(19)11-14;/h4-11H,12,19H2,1-3H3,(H,20,21);1H
InChIKeyFMCVWTFNBNKMGO-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.71
Rot. Bonds4

About 3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride

3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride (PubChem CID 119756892) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride
PubChem CID119756892
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride
SMILESCc1ccccc1C(C)(C)CNC(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-13-7-4-5-10-16(13)18(2,3)12-20-17(21)14-8-6-9-15(19)11-14;/h4-11H,12,19H2,1-3H3,(H,20,21);1H
InChIKeyFMCVWTFNBNKMGO-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
CID 119830617
3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
CID 119794357
2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182902
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119771428
3-amino-N-(2-methoxy-2-methylpropyl)benzamide
CID 115739688
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
3-amino-N-[2-(2-tert-butylphenoxy)ethyl]benzamide;hydrochloride
CID 119780497
3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
CID 119763189
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
tert-butyl 2-[(3-aminobenzoyl)amino]acetate
CID 20745560

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride (CID 119756892) is 3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride is Cc1ccccc1C(C)(C)CNC(=O)c1cccc(N)c1.Cl.
What is the InChIKey of 3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride?
The InChIKey is FMCVWTFNBNKMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-13-7-4-5-10-16(13)18(2,3)12-20-17(21)14-8-6-9-15(19)11-14;/h4-11H,12,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride?
3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119756892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).